(3S)-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrolidin-3-amine

C15H23N5OS — CID 97318181

About (3S)-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrolidin-3-amine

(3S)-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrolidin-3-amine (PubChem CID 97318181) has the molecular formula C15H23N5OS and a molecular weight of 321.45 g/mol. Its IUPAC name is (3S)-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrolidin-3-amine.

Molecular Properties

• Compound Name: (3S)-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrolidin-3-amine
• PubChem CID: 97318181
• Molecular Formula: C15H23N5OS
• Molecular Weight: 321.45 g/mol
• Exact Mass: 321.16
• IUPAC Name: (3S)-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrolidin-3-amine
• SMILES: Cc1nc(CN(C)[C@H]2CCN(CCc3scnc3C)C2)no1
• InChI: InChI=1S/C15H23N5OS/c1-11-14(22-10-16-11)5-7-20-6-4-13(8-20)19(3)9-15-17-12(2)21-18-15/h10,13H,4-9H2,1-3H3/t13-/m0/s1
• InChIKey: WOIPEJGCQNAVEI-ZDUSSCGKSA-N
• XLogP: 1.89
• TPSA: 58.29 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	321.45
LogP ≤ 5	1.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (3S)-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrolidin-3-amine?

The IUPAC name of (3S)-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrolidin-3-amine (CID 97318181) is (3S)-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrolidin-3-amine.

What is the SMILES notation for (3S)-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrolidin-3-amine?

The canonical SMILES for (3S)-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrolidin-3-amine is Cc1nc(CN(C)[C@H]2CCN(CCc3scnc3C)C2)no1.

What is the InChIKey of (3S)-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrolidin-3-amine?

The InChIKey is WOIPEJGCQNAVEI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H23N5OS/c1-11-14(22-10-16-11)5-7-20-6-4-13(8-20)19(3)9-15-17-12(2)21-18-15/h10,13H,4-9H2,1-3H3/t13-/m0/s1.

What are the key properties of (3S)-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrolidin-3-amine?

(3S)-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrolidin-3-amine has a molecular weight of 321.45 g/mol, XLogP of 1.89, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrolidin-3-amine is sourced from PubChem (CID 97318181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).